SCHEMBL31574037

SCHEMBL31574037

NCCNC(=O)[C@@]1(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 11/20 0.56
▸ TGM2 P21980 1/20 0.54
▸ FUT5 Q11128 1/20 0.49
▸ NT5E P21589 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ P2RY2 P41231 1/20 0.47
▸ P2RY4 P51582 1/20 0.47
▸ P2RY6 Q15077 1/20 0.47
▸ POLG P54098 1/20 0.46
▸ HINT1 P49773 1/20 0.45
▸ PNP P00491 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29093384 0.82 TGM2 (0.58) KRASTGM2FUT5NT5EPOLB
SCHEMBL29657998 0.81 KRAS (0.65) KRASTGM2FUT5NT5EP2RY2
SCHEMBL30576907 0.81 KRAS (0.65) KRASTGM2FUT5NT5EP2RY2
SCHEMBL31359443 0.80 TGM2 (0.56) KRASTGM2FUT5NT5EPOLB
SCHEMBL29216807 0.80 TGM2 (0.49) KRASTGM2FUT5NT5EPOLB
SCHEMBL29793878 0.80 KRAS (0.64) KRASTGM2FUT5NT5EP2RY2
Gtp SCHEMBL3333959 0.77 TGM2 (0.81) KRASTGM2FUT5NT5EP2RY2
SCHEMBL19691775 0.77 TGM2 (0.81) KRASTGM2FUT5NT5EP2RY2
SCHEMBL376140 0.77 TGM2 (0.81) KRASTGM2FUT5NT5EP2RY2
Guanosine Triphosphate SCHEMBL44408 0.77 TGM2 (0.81) KRASTGM2FUT5NT5EP2RY2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250154170-A1 FUSED PYRIMIDINES AS KRAS INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2025-05-15 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250154170-A1 FUSED PYRIMIDINES AS KRAS INHIBITORS KRAS, NRAS, TP53 KRAS 1/4885TGM2 3023/4885FUT5 4532/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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